#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qij s HIS 2 N 0.00 3.83 -0.30 2.97 3.76 -1.26 -5.04 115.29 119.24 2qij s HIS 2 Ca 0.00 -2.45 -0.15 0.00 -0.15 0.00 0.00 55.06 52.32 2qij s HIS 2 Cb 0.00 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 30.05 2qij s HIS 2 CO 0.00 -0.91 0.36 0.42 -0.85 0.00 0.00 174.74 173.75 2qij s ILE 3 N -0.43 5.18 -0.29 0.60 1.01 -1.26 -5.02 121.20 120.98 2qij s ILE 3 Ca 0.22 0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.96 2qij s ILE 3 Cb -0.12 -3.74 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2qij s ILE 3 CO -0.08 0.05 0.66 -0.62 0.00 0.00 0.00 174.94 174.95 2qij s ASP 4 N 1.70 6.55 0.00 3.58 -1.08 -1.26 -4.88 116.67 121.28 2qij s ASP 4 Ca 0.13 0.54 0.03 0.00 -0.52 0.00 0.00 52.55 52.73 2qij s ASP 4 Cb -0.16 -2.35 0.17 0.00 -1.46 0.00 0.00 42.92 39.12 2qij s ASP 4 CO 0.11 -0.49 0.93 -0.81 0.52 0.00 0.00 175.17 175.44 2qij n PRO 5 N 5.91 0.05 -0.01 4.34 -0.04 -1.26 -2.56 135.00 141.43 2qij n PRO 5 Ca 0.00 0.26 0.08 0.00 -0.04 0.00 0.00 63.50 63.80 2qij n PRO 5 Cb 0.49 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 2qij n PRO 5 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2qij n TYR 6 N -1.29 0.00 -0.00 0.54 4.02 -1.26 -4.68 117.16 114.48 2qij n TYR 6 Ca 0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.88 2qij n TYR 6 Cb 0.03 -0.39 -0.02 0.00 -0.02 0.00 0.00 39.34 38.94 2qij n TYR 6 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 2qij h LYS 7 N 0.00 -0.10 0.00 -0.72 1.57 -1.16 -1.00 116.57 115.15 2qij h LYS 7 Ca -0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qij h LYS 7 Cb 0.79 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.12 2qij h LYS 7 CO 0.00 -0.07 0.00 0.39 -0.57 0.00 0.00 179.45 179.20 2qij n GLU 8 N -3.09 0.00 -0.88 3.15 1.02 -1.26 0.28 120.64 119.86 2qij n GLU 8 Ca -0.01 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 2qij n GLU 8 Cb 0.07 0.00 0.07 0.00 -0.02 0.00 0.00 31.44 31.56 2qij n GLU 8 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2qij n PHE 9 N -3.88 1.86 -4.21 -0.32 3.01 -0.43 -4.90 117.46 108.60 2qij n PHE 9 Ca 0.00 -1.82 -0.33 0.00 1.01 0.00 0.00 57.45 56.31 2qij n PHE 9 Cb 0.00 -0.89 -0.05 0.00 -0.01 0.00 0.00 39.48 38.53 2qij n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qij n GLY 10 N -0.15 -0.32 3.36 1.37 0.00 0.79 -4.93 105.19 105.32 2qij n GLY 10 Ca 0.36 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.39 2qij n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qij s ALA 11 N -3.68 0.89 -0.00 4.61 0.00 -0.90 -5.01 121.76 117.67 2qij s ALA 11 Ca 0.41 -1.54 -0.10 0.00 0.00 0.00 0.00 51.96 50.72 2qij s ALA 11 Cb -0.23 1.29 0.01 0.00 0.00 0.00 0.00 23.12 24.19 2qij s ALA 11 CO 0.94 -0.70 0.20 0.95 0.00 0.00 0.00 175.76 177.15 2qij s THR 12 N -3.79 0.08 0.26 0.00 -4.23 -1.26 -2.22 115.64 104.47 2qij s THR 12 Ca 0.34 -0.62 -0.02 0.00 -1.18 0.00 0.00 61.69 60.20 2qij s THR 12 Cb 0.03 -0.51 0.26 0.00 1.34 0.00 0.00 72.50 73.62 2qij s THR 12 CO 0.16 -0.34 1.85 1.62 -0.54 0.00 0.00 174.62 177.37 2qij h VAL 13 N 4.11 1.01 -0.78 2.29 3.04 -1.94 0.14 116.25 124.11 2qij h VAL 13 Ca -0.30 -0.36 0.11 0.00 -1.01 0.00 0.00 66.70 65.14 2qij h VAL 13 Cb 1.19 -0.12 -0.05 0.00 -2.01 0.00 0.00 31.29 30.29 2qij h VAL 13 CO 0.41 0.19 0.51 -0.33 -1.01 0.00 0.00 177.57 177.33 2qij h GLU 14 N 1.04 0.62 0.24 4.17 3.07 -1.99 0.28 114.58 122.00 2qij h GLU 14 Ca 0.44 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.25 2qij h GLU 14 Cb 0.29 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 2qij h GLU 14 CO -0.21 0.41 -0.12 1.25 -1.40 0.00 0.00 179.01 178.94 2qij h LEU 15 N 0.63 -0.27 0.00 1.33 5.85 -1.19 -2.81 115.31 118.85 2qij h LEU 15 Ca 0.37 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2qij h LEU 15 Cb 0.56 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2qij h LEU 15 CO -0.14 0.23 0.04 -0.11 -0.34 0.00 0.00 178.44 178.12 2qij n LEU 16 N -4.99 0.00 0.01 2.25 0.00 -0.44 -3.31 117.00 110.53 2qij n LEU 16 Ca -0.06 0.34 -0.00 0.00 0.00 0.00 0.00 56.01 56.29 2qij n LEU 16 Cb 0.21 -0.34 -0.00 0.00 0.00 0.00 0.00 43.42 43.29 2qij n LEU 16 CO 0.18 -0.34 0.50 -1.28 0.00 0.00 0.00 177.39 176.45 2qij h SER 17 N 0.00 -0.03 0.00 1.96 0.87 -0.18 -3.26 113.55 112.90 2qij h SER 17 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2qij h SER 17 Cb 0.07 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2qij h SER 17 CO 0.00 -0.02 0.72 0.49 -0.53 0.00 0.00 176.83 177.50 2qij n PHE 18 N -2.20 0.00 -1.95 2.24 3.72 -1.21 -4.41 117.46 113.66 2qij n PHE 18 Ca -0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2qij n PHE 18 Cb 0.01 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 2qij n PHE 18 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2qij s LEU 19 N -3.39 3.76 0.41 4.37 1.43 -1.23 -4.95 118.68 119.08 2qij s LEU 19 Ca 0.00 1.68 -0.25 0.00 -1.03 0.00 0.00 54.13 54.54 2qij s LEU 19 Cb 0.00 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 2qij s LEU 19 CO 0.00 -1.49 1.14 -2.16 0.23 0.00 0.00 176.35 174.07 2qij s PRO 20 N 5.22 4.04 0.13 1.29 0.04 -1.26 -4.93 135.00 139.54 2qij s PRO 20 Ca 0.81 1.76 -0.20 0.00 0.04 0.00 0.00 61.00 63.40 2qij s PRO 20 Cb -0.27 -2.62 0.01 0.00 0.04 0.00 0.00 34.50 31.66 2qij s PRO 20 CO 0.33 -0.30 1.15 -1.13 0.04 0.00 0.00 177.00 177.08 2qij n SER 21 N -0.02 -0.70 0.20 6.66 3.41 -1.26 0.76 113.62 122.67 2qij n SER 21 Ca 0.05 1.32 0.18 0.00 -0.26 0.00 0.00 58.87 60.16 2qij n SER 21 Cb 0.47 -0.21 0.81 0.00 -0.26 0.00 0.00 64.21 65.03 2qij n SER 21 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2qij h ASP 22 N 0.00 0.00 -0.29 4.04 2.03 -2.02 -3.03 116.42 117.15 2qij h ASP 22 Ca 0.16 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 2qij h ASP 22 Cb 0.34 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.83 2qij h ASP 22 CO -0.71 0.00 0.19 0.15 -1.03 0.00 0.00 179.24 177.84 2qij h PHE 23 N 0.00 0.37 -3.85 4.15 3.04 -0.02 -3.43 116.94 117.20 2qij h PHE 23 Ca 0.10 0.01 -0.49 0.00 3.98 0.00 0.00 57.97 61.57 2qij h PHE 23 Cb 0.76 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2qij h PHE 23 CO 0.00 0.23 0.41 -0.06 -2.02 0.00 0.00 178.31 176.87 2qij s PHE 24 N -6.17 3.59 1.07 0.41 0.40 -1.15 -5.03 117.98 111.11 2qij s PHE 24 Ca -0.13 1.74 -0.18 0.00 -0.60 0.00 0.00 56.93 57.76 2qij s PHE 24 Cb 0.10 -3.13 0.25 0.00 0.51 0.00 0.00 43.02 40.75 2qij s PHE 24 CO 0.71 -0.26 1.29 -1.25 0.70 0.00 0.00 175.22 176.41 2qij s PRO 25 N -1.78 -0.20 0.43 0.24 0.04 -1.26 -5.00 135.00 127.48 2qij s PRO 25 Ca 0.48 -0.43 -0.25 0.00 0.04 0.00 0.00 61.00 60.84 2qij s PRO 25 Cb -0.26 -1.75 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2qij s PRO 25 CO 0.33 -2.97 1.31 -1.13 0.04 0.00 0.00 177.00 174.58 2qij n SER 26 N -4.16 2.74 -0.26 6.66 3.41 -1.26 -4.79 113.62 115.96 2qij n SER 26 Ca 0.16 1.11 0.03 0.00 -0.26 0.00 0.00 58.87 59.91 2qij n SER 26 Cb 0.59 -1.53 0.16 0.00 -0.26 0.00 0.00 64.21 63.18 2qij n SER 26 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2qij h VAL 27 N 2.12 0.83 0.00 -3.33 2.07 -1.94 0.47 116.25 116.47 2qij h VAL 27 Ca -0.49 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2qij h VAL 27 Cb 1.29 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2qij h VAL 27 CO 0.60 0.12 0.00 -1.14 0.02 0.00 0.00 177.57 177.17 2qij n ARG 28 N -4.84 0.00 -0.66 1.57 3.00 -1.26 -0.26 116.66 114.22 2qij n ARG 28 Ca 0.13 0.33 0.50 0.00 -0.00 0.00 0.00 57.85 58.80 2qij n ARG 28 Cb 0.31 -1.16 0.77 0.00 0.00 0.00 0.00 32.46 32.38 2qij n ARG 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qij n ASP 29 N -1.20 0.02 0.22 6.15 8.00 -0.75 0.16 116.55 129.16 2qij n ASP 29 Ca 0.00 0.99 -0.09 0.00 0.71 0.00 0.00 54.79 56.39 2qij n ASP 29 Cb 0.00 -0.49 -0.04 0.00 -0.02 0.00 0.00 41.12 40.56 2qij n ASP 29 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2qij h LEU 30 N 0.00 -0.52 -0.39 0.64 -0.00 0.93 0.36 115.31 116.33 2qij h LEU 30 Ca 0.89 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 58.84 2qij h LEU 30 Cb 3.51 0.13 -0.08 0.00 -0.00 0.00 0.00 40.66 44.22 2qij h LEU 30 CO -0.06 -0.21 -0.55 -0.07 -0.00 0.00 0.00 178.44 177.55 2qij h LEU 31 N -0.92 -1.82 -0.96 1.67 3.38 0.46 0.18 115.31 117.30 2qij h LEU 31 Ca -0.06 0.24 0.09 0.00 0.09 0.00 0.00 57.88 58.23 2qij h LEU 31 Cb 0.47 0.75 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 2qij h LEU 31 CO 0.10 -0.40 -0.56 0.47 0.09 0.00 0.00 178.44 178.14 2qij n ASP 32 N -5.31 -1.01 -0.05 -0.43 9.92 0.42 0.15 116.55 120.23 2qij n ASP 32 Ca -0.04 1.71 0.05 0.00 -0.53 0.00 0.00 54.79 55.98 2qij n ASP 32 Cb 0.33 -0.23 0.41 0.00 -0.64 0.00 0.00 41.12 41.00 2qij n ASP 32 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2qij h THR 33 N 0.00 1.07 0.58 -3.53 2.02 0.17 0.42 112.91 113.64 2qij h THR 33 Ca 0.16 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 2qij h THR 33 Cb 0.40 0.42 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2qij h THR 33 CO -0.90 0.11 -0.28 0.00 0.37 0.00 0.00 175.52 174.82 2qij h ALA 34 N 1.70 -0.78 -0.41 6.16 0.00 0.25 -0.69 119.26 125.50 2qij h ALA 34 Ca 0.20 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2qij h ALA 34 Cb 0.05 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2qij h ALA 34 CO -0.05 -0.90 0.21 0.00 0.00 0.00 0.00 179.25 178.51 2qij h ALA 35 N -0.47 1.61 -0.69 0.00 0.00 -0.75 0.26 119.26 119.22 2qij h ALA 35 Ca -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.77 2qij h ALA 35 Cb 0.63 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2qij h ALA 35 CO 0.13 0.33 0.45 0.00 0.00 0.00 0.00 179.25 180.16 2qij h ALA 36 N 1.67 1.55 -0.39 0.00 0.00 0.20 -3.24 119.26 119.05 2qij h ALA 36 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.78 2qij h ALA 36 Cb 0.04 -0.26 -0.38 0.00 0.00 0.00 0.00 17.79 17.19 2qij h ALA 36 CO -0.02 0.39 -1.04 1.47 0.00 0.00 0.00 179.25 180.05 2qij n LEU 37 N -4.44 1.29 0.00 0.00 -0.00 -0.30 -4.83 117.00 108.72 2qij n LEU 37 Ca 0.08 -3.04 0.00 0.00 -0.00 0.00 0.00 56.01 53.05 2qij n LEU 37 Cb 0.08 0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2qij n LEU 37 CO 0.35 1.09 0.00 -1.22 -0.00 0.00 0.00 177.39 177.62 2qij n TYR 38 N -0.68 0.00 0.00 1.47 4.01 0.83 -4.98 117.16 117.80 2qij n TYR 38 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2qij n TYR 38 Cb 0.81 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 2qij n TYR 38 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2qij n ARG 39 N 0.00 0.00 -0.07 -0.72 0.63 -1.04 0.84 116.66 116.30 2qij n ARG 39 Ca 0.00 0.64 -0.02 0.00 -0.92 0.00 0.00 57.85 57.56 2qij n ARG 39 Cb 0.06 -1.22 -0.02 0.00 0.45 0.00 0.00 32.46 31.73 2qij n ARG 39 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 2qij n ASP 40 N -1.77 -0.17 0.02 6.15 8.00 -1.26 0.12 116.55 127.63 2qij n ASP 40 Ca 0.00 0.51 -0.05 0.00 0.71 0.00 0.00 54.79 55.96 2qij n ASP 40 Cb 0.00 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.92 2qij n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qij h ALA 41 N -0.13 -0.64 -0.97 2.24 0.00 -1.79 0.91 119.26 118.87 2qij h ALA 41 Ca 0.03 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 55.15 2qij h ALA 41 Cb 0.07 0.63 -0.18 0.00 0.00 0.00 0.00 17.79 18.30 2qij h ALA 41 CO -0.15 -0.69 -0.06 1.28 0.00 0.00 0.00 179.25 179.62 2qij n LEU 42 N -3.38 -0.19 0.34 0.00 4.77 0.25 -1.00 117.00 117.79 2qij n LEU 42 Ca -0.02 1.66 -0.16 0.00 -0.03 0.00 0.00 56.01 57.46 2qij n LEU 42 Cb 0.12 -0.57 -0.08 0.00 -2.33 0.00 0.00 43.42 40.56 2qij n LEU 42 CO 0.04 -1.65 0.47 -0.33 -1.33 0.00 0.00 177.39 174.59 2qij h GLU 43 N 0.00 -0.86 -2.36 3.23 5.08 0.21 -3.47 114.58 116.41 2qij h GLU 43 Ca 0.55 0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.74 2qij h GLU 43 Cb 1.05 0.20 0.08 0.00 0.50 0.00 0.00 28.75 30.58 2qij h GLU 43 CO -0.94 -0.54 -0.60 -1.13 -1.00 0.00 0.00 179.01 174.80 2qij n SER 44 N -5.40 -1.93 -0.16 1.42 3.41 0.20 -4.84 113.62 106.32 2qij n SER 44 Ca -0.12 0.16 0.06 0.00 -0.26 0.00 0.00 58.87 58.71 2qij n SER 44 Cb 0.37 -0.32 0.31 0.00 -0.26 0.00 0.00 64.21 64.31 2qij n SER 44 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2qij n PRO 45 N 0.79 1.20 -3.27 4.33 -0.04 -1.26 -4.76 135.00 132.00 2qij n PRO 45 Ca 0.01 -0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 62.75 2qij n PRO 45 Cb 0.20 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.37 2qij n PRO 45 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qij s GLU 46 N -1.91 3.81 0.34 0.54 0.41 -1.26 -5.00 118.70 115.63 2qij s GLU 46 Ca 0.19 -0.00 -0.29 0.00 -0.41 0.00 0.00 54.97 54.46 2qij s GLU 46 Cb 0.09 -3.74 -0.12 0.00 -1.78 0.00 0.00 34.13 28.59 2qij s GLU 46 CO 0.15 -0.49 1.46 0.72 -0.49 0.00 0.00 175.26 176.61 2qij n HIS 47 N 5.60 2.76 0.08 1.61 8.25 -1.26 -4.80 115.22 127.47 2qij n HIS 47 Ca -0.05 0.43 0.06 0.00 -0.26 0.00 0.00 57.72 57.89 2qij n HIS 47 Cb 0.49 -2.52 -0.09 0.00 1.12 0.00 0.00 29.99 28.99 2qij n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qij n SER 49 N -1.84 0.00 -0.18 0.00 3.41 -1.26 -4.87 113.62 108.87 2qij n SER 49 Ca -0.02 0.00 0.29 0.00 -0.26 0.00 0.00 58.87 58.88 2qij n SER 49 Cb 0.31 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 64.99 2qij n SER 49 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2qij h PRO 50 N 0.00 0.00 0.52 4.33 0.13 -1.99 0.72 132.00 135.71 2qij h PRO 50 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2qij h PRO 50 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2qij h PRO 50 CO 0.00 0.00 -0.25 0.45 -0.23 0.00 0.00 178.00 177.97 2qij h HIS 51 N 0.00 -0.65 -0.54 1.56 3.86 -2.00 -1.78 115.15 115.60 2qij h HIS 51 Ca 0.43 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.68 2qij h HIS 51 Cb 1.73 0.21 -0.09 0.00 1.06 0.00 0.00 27.41 30.32 2qij h HIS 51 CO 0.00 -0.40 -0.55 0.45 0.86 0.00 0.00 177.93 178.28 2qij h HIS 52 N -0.86 -1.70 -0.28 2.45 3.86 -0.04 -1.55 115.15 117.04 2qij h HIS 52 Ca -0.07 0.09 0.03 0.00 -1.16 0.00 0.00 60.37 59.26 2qij h HIS 52 Cb 0.54 0.81 -0.03 0.00 1.06 0.00 0.00 27.41 29.79 2qij h HIS 52 CO 0.06 -0.46 -0.16 2.41 0.86 0.00 0.00 177.93 180.63 2qij n THR 53 N -5.36 -0.19 -0.33 2.45 -1.04 0.43 -0.20 114.28 110.04 2qij n THR 53 Ca -0.02 1.74 -0.00 0.00 -2.04 0.00 0.00 64.05 63.73 2qij n THR 53 Cb 0.33 -2.26 0.05 0.00 -1.82 0.00 0.00 70.33 66.63 2qij n THR 53 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2qij h ALA 54 N -0.57 0.23 -0.40 2.41 0.00 -0.58 0.13 119.26 120.47 2qij h ALA 54 Ca 0.04 0.28 0.08 0.00 0.00 0.00 0.00 54.91 55.31 2qij h ALA 54 Cb 0.11 0.89 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2qij h ALA 54 CO -0.26 -0.58 -0.32 1.25 0.00 0.00 0.00 179.25 179.34 2qij h LEU 55 N -0.03 -1.08 0.15 0.00 5.85 0.38 0.65 115.31 121.23 2qij h LEU 55 Ca 0.35 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 2qij h LEU 55 Cb 0.61 0.51 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 2qij h LEU 55 CO -0.92 -0.32 -0.19 0.03 -0.34 0.00 0.00 178.44 176.71 2qij h ARG 56 N -0.25 -0.33 -0.85 1.25 3.08 0.26 0.51 114.38 118.05 2qij h ARG 56 Ca 0.17 0.02 0.31 0.00 0.07 0.00 0.00 59.98 60.56 2qij h ARG 56 Cb 0.54 0.08 -0.16 0.00 0.08 0.00 0.00 29.97 30.51 2qij h ARG 56 CO -0.54 -0.22 0.29 1.04 -1.07 0.00 0.00 179.97 179.47 2qij n GLN 57 N -3.45 -0.06 -0.03 0.04 1.13 -0.29 -0.43 117.38 114.29 2qij n GLN 57 Ca -0.04 1.22 -0.11 0.00 -1.94 0.00 0.00 57.00 56.12 2qij n GLN 57 Cb 0.16 -2.08 -0.09 0.00 0.11 0.00 0.00 30.24 28.34 2qij n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2qij h ALA 58 N 1.71 -0.05 -1.70 -1.58 0.00 0.21 -1.78 119.26 116.05 2qij h ALA 58 Ca 0.65 -0.33 0.53 0.00 0.00 0.00 0.00 54.91 55.76 2qij h ALA 58 Cb 1.59 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 19.30 2qij h ALA 58 CO -0.71 -0.10 1.18 0.82 0.00 0.00 0.00 179.25 180.43 2qij h ILE 59 N -0.90 0.01 0.00 0.00 2.04 0.23 0.68 117.51 119.57 2qij h ILE 59 Ca -0.01 -0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 2qij h ILE 59 Cb 0.67 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2qij h ILE 59 CO 0.01 0.00 -0.00 -0.07 0.00 0.00 0.00 178.15 178.09 2qij h LEU 60 N 0.00 -0.01 -1.29 1.44 3.38 -0.49 -3.13 115.31 115.21 2qij h LEU 60 Ca 0.91 -0.78 0.25 0.00 0.09 0.00 0.00 57.88 58.35 2qij h LEU 60 Cb 3.35 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 44.00 2qij h LEU 60 CO -0.22 0.88 0.65 0.00 0.09 0.00 0.00 178.44 179.83 2qij h TRP 62 N 0.46 0.29 -0.29 0.00 2.91 -1.31 -2.50 115.95 115.51 2qij h TRP 62 Ca 0.59 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.68 2qij h TRP 62 Cb 1.39 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 29.91 2qij h TRP 62 CO -0.00 0.15 -0.02 0.78 -1.03 0.00 0.00 178.44 178.32 2qij h GLY 63 N 0.33 0.27 0.06 2.65 0.00 -0.30 -1.00 103.07 105.09 2qij h GLY 63 Ca 0.15 0.05 0.22 0.00 0.00 0.00 0.00 47.33 47.76 2qij h GLY 63 CO -0.12 -0.07 0.63 -0.55 0.00 0.00 0.00 176.54 176.42 2qij h ASP 64 N 0.07 0.56 -0.36 0.19 3.32 -1.07 0.34 116.42 119.48 2qij h ASP 64 Ca 0.14 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 2qij h ASP 64 Cb 0.19 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 2qij h ASP 64 CO -0.25 0.17 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.30 2qij h LEU 65 N 0.53 0.67 -0.81 1.55 -0.00 -0.81 0.16 115.31 116.60 2qij h LEU 65 Ca 0.56 -0.35 0.09 0.00 -0.00 0.00 0.00 57.88 58.18 2qij h LEU 65 Cb 1.21 -0.18 -0.07 0.00 -0.00 0.00 0.00 40.66 41.62 2qij h LEU 65 CO -0.30 0.86 0.47 0.24 -0.00 0.00 0.00 178.44 179.71 2qij h MET 66 N 0.47 0.78 -0.14 1.13 2.86 0.71 0.27 114.93 121.01 2qij h MET 66 Ca 0.09 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2qij h MET 66 Cb 0.56 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2qij h MET 66 CO 0.03 0.52 -0.11 1.15 1.06 0.00 0.00 176.91 179.55 2qij h THR 67 N 0.81 1.34 -1.04 2.22 2.02 -0.67 0.93 112.91 118.52 2qij h THR 67 Ca 0.38 -1.24 0.33 0.00 0.77 0.00 0.00 66.41 66.65 2qij h THR 67 Cb 0.31 1.86 -0.14 0.00 -1.74 0.00 0.00 68.15 68.44 2qij h THR 67 CO -0.23 0.36 0.61 0.25 0.37 0.00 0.00 175.52 176.88 2qij h LEU 68 N -0.06 0.49 0.09 2.58 5.85 0.55 0.31 115.31 125.13 2qij h LEU 68 Ca 0.02 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 2qij h LEU 68 Cb 0.62 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.78 2qij h LEU 68 CO 0.03 -0.11 -0.04 0.00 -0.34 0.00 0.00 178.44 177.97 2qij h ALA 69 N 1.80 -0.62 -1.47 1.25 0.00 -0.44 -1.06 119.26 118.72 2qij h ALA 69 Ca 0.73 -0.03 0.43 0.00 0.00 0.00 0.00 54.91 56.04 2qij h ALA 69 Cb 1.74 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 2qij h ALA 69 CO -0.56 -0.61 1.14 1.15 0.00 0.00 0.00 179.25 180.37 2qij h THR 70 N -0.18 0.16 0.15 0.00 2.02 0.57 0.54 112.91 116.17 2qij h THR 70 Ca -0.01 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.88 2qij h THR 70 Cb 0.09 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2qij h THR 70 CO 0.02 0.00 -1.43 -0.25 0.37 0.00 0.00 175.52 174.23 2qij h TRP 71 N 0.00 0.58 0.00 3.16 7.01 -0.45 -2.71 115.95 123.54 2qij h TRP 71 Ca 0.70 -0.42 0.00 0.00 2.11 0.00 0.00 58.89 61.28 2qij h TRP 71 Cb 2.98 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 30.02 2qij h TRP 71 CO 0.00 1.56 0.12 0.28 -2.79 0.00 0.00 178.44 177.61 2qij h VAL 72 N -0.17 0.00 0.00 2.65 2.07 0.12 -1.57 116.25 119.35 2qij h VAL 72 Ca -0.29 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2qij h VAL 72 Cb 1.87 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2qij h VAL 72 CO 0.12 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.32 2qij n GLY 73 N -1.15 -0.82 1.77 2.17 0.00 0.14 -1.79 105.19 105.51 2qij n GLY 73 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2qij n GLY 73 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qij n THR 74 N -0.82 2.01 0.00 2.61 5.66 -0.89 -3.54 114.28 119.31 2qij n THR 74 Ca 0.00 -0.75 0.00 0.00 -3.05 0.00 0.00 64.05 60.25 2qij n THR 74 Cb 0.00 -1.62 0.00 0.00 -1.55 0.00 0.00 70.33 67.16 2qij n THR 74 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2qij n ASN 75 N 1.97 0.00 -4.80 1.09 3.02 -0.64 -4.99 115.26 110.90 2qij n ASN 75 Ca 0.14 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.35 2qij n ASN 75 Cb 0.56 0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.80 2qij n ASN 75 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2qij s LEU 76 N -3.53 3.96 0.00 3.41 2.96 -0.74 -5.02 118.68 119.72 2qij s LEU 76 Ca 0.00 1.85 0.00 0.00 -0.22 0.00 0.00 54.13 55.76 2qij s LEU 76 Cb 0.00 -4.46 0.00 0.00 0.50 0.00 0.00 46.19 42.23 2qij s LEU 76 CO 0.00 -0.53 0.00 1.21 -1.32 0.00 0.00 176.35 175.71 2qij n GLU 77 N -0.61 0.00 -0.84 1.98 4.07 -1.26 -4.86 120.64 119.13 2qij n GLU 77 Ca 0.07 0.00 -0.21 0.00 -0.06 0.00 0.00 57.16 56.96 2qij n GLU 77 Cb 0.53 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.82 2qij n GLU 77 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2qij n ASP 78 N -0.27 0.03 -0.35 4.31 2.03 -1.26 -4.57 116.55 116.47 2qij n ASP 78 Ca 0.00 0.05 -0.08 0.00 0.52 0.00 0.00 54.79 55.27 2qij n ASP 78 Cb 0.00 -0.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 2qij n ASP 78 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2qij n PRO 79 N 4.51 -0.35 -0.35 -0.67 -0.02 -1.26 -0.25 135.00 136.61 2qij n PRO 79 Ca 0.37 1.26 0.31 0.00 -2.02 0.00 0.00 63.50 63.43 2qij n PRO 79 Cb 0.02 -1.86 0.55 0.00 -0.02 0.00 0.00 33.50 32.20 2qij n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qij n ALA 80 N -3.39 1.05 -0.09 3.55 0.00 -1.26 0.19 120.51 120.55 2qij n ALA 80 Ca 0.02 0.81 -0.23 0.00 0.00 0.00 0.00 53.44 54.04 2qij n ALA 80 Cb 0.23 -0.90 -0.12 0.00 0.00 0.00 0.00 19.45 18.66 2qij n ALA 80 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qij n SER 81 N -4.67 1.92 0.25 0.00 3.41 0.65 -2.80 113.62 112.39 2qij n SER 81 Ca 0.34 0.37 0.11 0.00 -0.26 0.00 0.00 58.87 59.42 2qij n SER 81 Cb 1.24 -0.92 0.58 0.00 -0.26 0.00 0.00 64.21 64.85 2qij n SER 81 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2qij h ARG 82 N -0.82 0.00 0.06 4.33 0.11 0.54 1.02 114.38 119.63 2qij h ARG 82 Ca -0.41 0.00 -0.33 0.00 0.10 0.00 0.00 59.98 59.34 2qij h ARG 82 Cb 1.47 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.52 2qij h ARG 82 CO -0.19 0.00 -1.87 -0.25 0.10 0.00 0.00 179.97 177.75 2qij n ASP 83 N -2.47 1.48 -0.15 0.08 8.00 0.13 -3.06 116.55 120.57 2qij n ASP 83 Ca -0.01 0.30 -0.03 0.00 0.71 0.00 0.00 54.79 55.76 2qij n ASP 83 Cb 0.36 -0.44 0.05 0.00 -0.02 0.00 0.00 41.12 41.07 2qij n ASP 83 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2qij h LEU 84 N 0.04 -0.11 0.69 0.64 5.85 0.13 -1.67 115.31 120.88 2qij h LEU 84 Ca -0.36 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2qij h LEU 84 Cb 2.03 0.16 0.01 0.00 0.37 0.00 0.00 40.66 43.22 2qij h LEU 84 CO 0.08 -0.02 -0.33 0.58 -0.34 0.00 0.00 178.44 178.41 2qij h VAL 85 N 0.16 0.00 -0.89 1.05 2.07 -1.57 -2.40 116.25 114.67 2qij h VAL 85 Ca 0.23 -0.12 0.26 0.00 0.82 0.00 0.00 66.70 67.90 2qij h VAL 85 Cb 0.33 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 2qij h VAL 85 CO -0.35 0.00 0.78 0.58 0.02 0.00 0.00 177.57 178.61 2qij h VAL 86 N -1.05 0.31 0.15 2.57 2.07 -1.43 0.34 116.25 119.22 2qij h VAL 86 Ca -0.10 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.11 2qij h VAL 86 Cb 0.71 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2qij h VAL 86 CO 0.16 0.00 -1.57 0.77 0.02 0.00 0.00 177.57 176.94 2qij h SER 87 N 0.00 0.48 -0.26 0.57 4.64 -1.18 -0.81 113.55 116.99 2qij h SER 87 Ca 0.42 -0.66 0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2qij h SER 87 Cb 1.99 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 63.87 2qij h SER 87 CO -0.00 1.55 -0.09 0.22 -0.87 0.00 0.00 176.83 177.64 2qij h TYR 88 N 0.08 -0.19 0.01 4.77 3.20 0.13 0.84 116.97 125.81 2qij h TYR 88 Ca -0.27 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.63 2qij h TYR 88 Cb 2.05 0.13 -0.00 0.00 1.54 0.00 0.00 36.73 40.44 2qij h TYR 88 CO 0.08 -0.14 -0.01 0.28 -1.64 0.00 0.00 178.16 176.72 2qij h VAL 89 N -0.03 0.00 0.00 1.81 2.07 -1.19 -2.29 116.25 116.61 2qij h VAL 89 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qij h VAL 89 Cb 0.23 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2qij h VAL 89 CO -0.29 0.00 0.38 0.78 0.02 0.00 0.00 177.57 178.46 2qij h ASN 90 N -0.02 0.00 0.00 0.57 4.21 -0.56 -2.06 115.58 117.73 2qij h ASN 90 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2qij h ASN 90 Cb 0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.22 2qij h ASN 90 CO -0.00 0.00 0.00 0.41 -1.29 0.00 0.00 177.43 176.55 2qij n THR 91 N -2.53 0.00 0.04 2.81 -1.04 0.29 -4.34 114.28 109.50 2qij n THR 91 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 2qij n THR 91 Cb 0.41 -0.59 -0.06 0.00 -1.82 0.00 0.00 70.33 68.27 2qij n THR 91 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2qij h ASN 92 N 0.00 -1.05 -0.99 8.00 2.35 -1.64 0.98 115.58 123.23 2qij h ASN 92 Ca 0.00 0.12 0.17 0.00 -0.55 0.00 0.00 56.30 56.04 2qij h ASN 92 Cb 0.00 0.40 -0.09 0.00 0.05 0.00 0.00 38.32 38.67 2qij h ASN 92 CO 0.00 -0.33 0.62 0.58 -1.65 0.00 0.00 177.43 176.64 2qij h VAL 93 N -0.43 0.77 0.73 2.81 2.07 -1.53 -1.81 116.25 118.86 2qij h VAL 93 Ca 0.01 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2qij h VAL 93 Cb 0.46 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 2qij h VAL 93 CO -0.23 0.14 -0.38 1.23 0.02 0.00 0.00 177.57 178.36 2qij h GLY 94 N 0.79 -1.08 -0.65 2.17 0.00 -0.17 -2.05 103.07 102.08 2qij h GLY 94 Ca 0.54 0.41 0.21 0.00 0.00 0.00 0.00 47.33 48.49 2qij h GLY 94 CO -0.32 -0.39 -0.03 -2.00 0.00 0.00 0.00 176.54 173.81 2qij h LEU 95 N -1.02 -0.48 0.60 3.11 6.46 0.17 0.27 115.31 124.43 2qij h LEU 95 Ca -0.10 0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.88 2qij h LEU 95 Cb 0.79 0.43 -0.01 0.00 -0.73 0.00 0.00 40.66 41.15 2qij h LEU 95 CO 0.14 -0.26 -0.44 0.11 -0.62 0.00 0.00 178.44 177.37 2qij h LYS 96 N 0.06 -0.96 -1.38 1.25 1.57 -0.91 -1.18 116.57 115.02 2qij h LYS 96 Ca 0.48 0.07 0.44 0.00 -1.87 0.00 0.00 60.65 59.77 2qij h LYS 96 Cb 0.89 0.22 -0.12 0.00 0.08 0.00 0.00 32.23 33.30 2qij h LYS 96 CO -0.80 -0.64 0.91 0.74 -0.57 0.00 0.00 179.45 179.09 2qij h PHE 97 N -1.00 0.44 0.82 -1.35 -1.00 0.09 0.70 116.94 115.64 2qij h PHE 97 Ca -0.08 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.68 2qij h PHE 97 Cb 0.82 -0.11 -0.00 0.00 3.61 0.00 0.00 35.95 40.27 2qij h PHE 97 CO -0.14 -0.16 -0.48 0.00 -1.61 0.00 0.00 178.31 175.91 2qij h ARG 98 N 0.08 -1.17 -0.09 1.51 3.08 0.43 -0.20 114.38 118.02 2qij h ARG 98 Ca 0.81 0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.95 2qij h ARG 98 Cb 2.66 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 32.96 2qij h ARG 98 CO -0.35 -0.78 -0.06 1.96 -1.07 0.00 0.00 179.97 179.67 2qij h GLN 99 N -1.21 -0.01 -0.43 0.04 4.20 -0.55 0.66 115.11 117.80 2qij h GLN 99 Ca -0.11 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.64 2qij h GLN 99 Cb 0.97 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.70 2qij h GLN 99 CO 0.12 -0.01 -0.25 -0.11 -0.67 0.00 0.00 178.83 177.91 2qij n LEU 100 N -3.18 -0.45 -0.31 1.46 7.94 -1.14 0.16 117.00 121.47 2qij n LEU 100 Ca 0.00 1.27 0.20 0.00 -1.11 0.00 0.00 56.01 56.37 2qij n LEU 100 Cb 0.03 -0.35 0.46 0.00 0.53 0.00 0.00 43.42 44.09 2qij n LEU 100 CO -0.01 -0.88 1.21 -0.07 -1.11 0.00 0.00 177.39 176.53 2qij h LEU 101 N 0.00 0.52 0.00 -1.96 3.38 -0.27 -0.66 115.31 116.32 2qij h LEU 101 Ca 0.07 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qij h LEU 101 Cb 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2qij h LEU 101 CO -0.40 0.15 0.00 1.87 0.09 0.00 0.00 178.44 180.14 2qij n TRP 102 N -4.64 0.00 -0.29 1.13 -0.00 0.41 -2.13 117.44 111.92 2qij n TRP 102 Ca 0.23 0.00 0.20 0.00 -0.00 0.00 0.00 57.50 57.94 2qij n TRP 102 Cb 0.76 -0.45 0.38 0.00 -0.00 0.00 0.00 31.31 32.01 2qij n TRP 102 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 2qij n PHE 103 N -1.85 0.79 0.00 5.87 7.35 0.30 -1.04 117.46 128.88 2qij n PHE 103 Ca 0.00 1.04 0.00 0.00 -0.76 0.00 0.00 57.45 57.73 2qij n PHE 103 Cb 0.00 -1.30 0.00 0.00 0.35 0.00 0.00 39.48 38.53 2qij n PHE 103 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2qij n HIS 104 N -5.12 0.00 -0.17 -5.13 8.25 -0.28 -2.62 115.22 110.15 2qij n HIS 104 Ca 0.27 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.81 2qij n HIS 104 Cb 0.90 -0.21 0.16 0.00 1.12 0.00 0.00 29.99 31.95 2qij n HIS 104 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qij n ILE 105 N -1.13 -0.21 -0.06 1.59 5.41 -0.91 0.80 119.36 124.85 2qij n ILE 105 Ca 0.00 1.09 -0.11 0.00 1.00 0.00 0.00 62.75 64.74 2qij n ILE 105 Cb 0.00 -1.61 -0.04 0.00 -0.71 0.00 0.00 39.64 37.28 2qij n ILE 105 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2qij h SER 106 N 0.00 0.29 -0.30 4.38 0.02 -1.20 -0.91 113.55 115.83 2qij h SER 106 Ca 0.31 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2qij h SER 106 Cb 0.66 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 2qij h SER 106 CO -0.46 0.37 0.10 0.00 -1.14 0.00 0.00 176.83 175.69 2qij n LEU 108 N -5.03 0.30 0.00 0.00 4.77 -0.20 0.61 117.00 117.45 2qij n LEU 108 Ca -0.00 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2qij n LEU 108 Cb 0.11 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 2qij n LEU 108 CO 0.28 -0.66 0.14 0.41 -1.33 0.00 0.00 177.39 176.23 2qij n THR 109 N -1.91 0.00 -0.12 -5.08 -1.04 0.24 -4.80 114.28 101.58 2qij n THR 109 Ca -0.01 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2qij n THR 109 Cb 0.18 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.75 2qij n THR 109 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2qij n PHE 110 N -0.34 0.00 -0.02 -1.42 3.01 0.15 -4.97 117.46 113.86 2qij n PHE 110 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2qij n PHE 110 Cb 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.49 2qij n PHE 110 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qij n GLY 111 N 0.00 0.98 0.17 1.37 0.00 0.20 -3.96 105.19 103.95 2qij n GLY 111 Ca 0.00 -1.28 0.01 0.00 0.00 0.00 0.00 46.02 44.75 2qij n GLY 111 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qij n ARG 112 N 2.58 -0.07 0.00 1.61 0.63 -1.26 0.57 116.66 120.72 2qij n ARG 112 Ca 0.00 0.70 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 2qij n ARG 112 Cb 0.00 -1.04 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2qij n ARG 112 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2qij n GLU 113 N -4.70 0.00 -0.30 -0.14 -0.58 -1.26 0.11 120.64 113.77 2qij n GLU 113 Ca 0.06 0.44 0.14 0.00 -0.42 0.00 0.00 57.16 57.38 2qij n GLU 113 Cb 0.20 -1.24 0.30 0.00 -0.57 0.00 0.00 31.44 30.14 2qij n GLU 113 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2qij h THR 114 N 0.00 0.30 0.54 2.62 2.02 -0.00 0.30 112.91 118.69 2qij h THR 114 Ca 0.00 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 2qij h THR 114 Cb 0.00 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.49 2qij h THR 114 CO 0.00 0.04 -0.26 0.58 0.37 0.00 0.00 175.52 176.25 2qij h VAL 115 N 0.21 0.46 -0.18 3.16 2.07 -0.13 -1.10 116.25 120.73 2qij h VAL 115 Ca 0.57 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 68.04 2qij h VAL 115 Cb 1.16 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.38 2qij h VAL 115 CO -0.66 0.02 -0.14 -0.07 0.02 0.00 0.00 177.57 176.73 2qij h LEU 116 N -0.79 -0.46 -0.40 2.57 3.38 0.21 0.37 115.31 120.19 2qij h LEU 116 Ca -0.07 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.07 2qij h LEU 116 Cb 0.58 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 2qij h LEU 116 CO 0.12 -0.19 -0.33 -0.33 0.09 0.00 0.00 178.44 177.80 2qij h GLU 117 N -0.15 -0.25 -0.29 1.13 5.08 -0.88 0.52 114.58 119.74 2qij h GLU 117 Ca 0.11 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2qij h GLU 117 Cb 0.32 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 2qij h GLU 117 CO -0.28 -0.17 -0.52 -0.92 -1.00 0.00 0.00 179.01 176.13 2qij h TYR 118 N -0.26 -1.58 -0.81 4.33 5.03 -0.33 0.24 116.97 123.59 2qij h TYR 118 Ca 0.17 0.07 0.17 0.00 2.58 0.00 0.00 58.73 61.72 2qij h TYR 118 Cb 0.54 0.73 -0.15 0.00 1.55 0.00 0.00 36.73 39.40 2qij h TYR 118 CO -0.54 -0.48 -0.15 -0.07 -1.32 0.00 0.00 178.16 175.59 2qij h LEU 119 N -0.44 -0.66 -0.42 2.82 3.38 0.64 0.55 115.31 121.18 2qij h LEU 119 Ca 0.05 0.24 0.02 0.00 0.09 0.00 0.00 57.88 58.28 2qij h LEU 119 Cb 0.59 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 2qij h LEU 119 CO -0.50 -0.26 0.23 0.58 0.09 0.00 0.00 178.44 178.58 2qij h VAL 120 N 0.02 1.01 -0.10 1.22 2.07 0.15 -0.56 116.25 120.06 2qij h VAL 120 Ca 0.41 -0.16 -0.13 0.00 0.82 0.00 0.00 66.70 67.64 2qij h VAL 120 Cb 0.66 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2qij h VAL 120 CO -0.81 0.09 -0.50 0.28 0.02 0.00 0.00 177.57 176.65 2qij h SER 121 N 0.47 0.29 -0.69 0.57 0.02 0.51 -2.68 113.55 112.04 2qij h SER 121 Ca 0.17 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2qij h SER 121 Cb 0.04 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2qij h SER 121 CO -0.10 0.74 0.28 0.15 -1.14 0.00 0.00 176.83 176.77 2qij h PHE 122 N 0.22 1.05 0.03 3.45 3.04 0.74 -2.53 116.94 122.94 2qij h PHE 122 Ca 0.01 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 61.88 2qij h PHE 122 Cb 0.95 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 2qij h PHE 122 CO 0.02 0.81 -0.04 0.78 -2.02 0.00 0.00 178.31 177.86 2qij h GLY 123 N 0.98 -0.83 -0.39 2.40 0.00 -0.93 0.11 103.07 104.42 2qij h GLY 123 Ca 0.23 0.36 0.07 0.00 0.00 0.00 0.00 47.33 47.99 2qij h GLY 123 CO -0.02 -0.31 -0.13 1.55 0.00 0.00 0.00 176.54 177.64 2qij n VAL 124 N -2.52 -0.19 0.00 4.60 3.14 -1.03 -0.09 118.33 122.24 2qij n VAL 124 Ca -0.01 0.90 0.00 0.00 -2.96 0.00 0.00 64.34 62.27 2qij n VAL 124 Cb 0.03 -1.21 0.00 0.00 -1.06 0.00 0.00 33.84 31.60 2qij n VAL 124 CO 0.00 0.00 0.00 1.87 -6.46 0.00 0.00 176.83 172.24 2qij n TRP 125 N -4.60 0.00 -0.05 1.45 -0.00 -0.81 -3.01 117.44 110.43 2qij n TRP 125 Ca 0.05 0.00 0.23 0.00 -0.00 0.00 0.00 57.50 57.78 2qij n TRP 125 Cb 0.17 -0.19 0.51 0.00 -0.00 0.00 0.00 31.31 31.80 2qij n TRP 125 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 2qij h ILE 126 N 0.00 0.10 -0.00 5.87 2.10 0.15 1.19 117.51 126.92 2qij h ILE 126 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2qij h ILE 126 Cb 0.00 0.22 0.00 0.00 -1.09 0.00 0.00 36.82 35.95 2qij h ILE 126 CO 0.00 0.00 0.00 -1.14 -1.08 0.00 0.00 178.15 175.93 2qij n ARG 127 N -3.29 1.02 -3.75 2.19 0.63 0.87 -4.80 116.66 109.53 2qij n ARG 127 Ca 0.15 -0.03 -0.36 0.00 -0.92 0.00 0.00 57.85 56.69 2qij n ARG 127 Cb 1.17 -1.28 -0.10 0.00 0.45 0.00 0.00 32.46 32.70 2qij n ARG 127 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2qij s THR 128 N -1.99 5.13 0.20 5.15 2.01 0.41 -5.03 115.64 121.52 2qij s THR 128 Ca 0.26 0.10 -0.32 0.00 0.31 0.00 0.00 61.69 62.04 2qij s THR 128 Cb 0.12 -3.37 -0.14 0.00 0.01 0.00 0.00 72.50 69.12 2qij s THR 128 CO 0.20 0.38 1.40 -0.81 -0.69 0.00 0.00 174.62 175.10 2qij n PRO 129 N 4.12 1.86 -0.32 4.92 -0.04 -1.26 -4.43 135.00 139.84 2qij n PRO 129 Ca -0.16 0.67 0.18 0.00 -0.04 0.00 0.00 63.50 64.15 2qij n PRO 129 Cb 0.52 -2.32 0.37 0.00 -0.04 0.00 0.00 33.50 32.03 2qij n PRO 129 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2qij h PRO 130 N 4.46 0.10 -1.82 0.54 0.11 -1.95 0.39 132.00 133.83 2qij h PRO 130 Ca -0.45 -0.01 0.53 0.00 0.11 0.00 0.00 66.00 66.18 2qij h PRO 130 Cb 1.29 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 2qij h PRO 130 CO 0.78 0.06 1.39 0.00 -0.21 0.00 0.00 178.00 180.02 2qij n ALA 131 N -2.74 1.75 -0.05 -0.75 0.00 -1.26 -0.97 120.51 116.49 2qij n ALA 131 Ca 0.26 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2qij n ALA 131 Cb 0.86 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 19.27 2qij n ALA 131 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qij n TYR 132 N -3.79 0.00 -1.88 0.00 4.01 0.13 -5.04 117.16 110.58 2qij n TYR 132 Ca 0.41 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.74 2qij n TYR 132 Cb 1.93 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.94 2qij n TYR 132 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2qij s ARG 133 N -0.59 4.19 0.77 -0.72 6.06 -0.14 -4.95 118.95 123.56 2qij s ARG 133 Ca 0.00 2.45 -0.13 0.00 -2.50 0.00 0.00 55.73 55.56 2qij s ARG 133 Cb 0.00 -3.06 0.06 0.00 0.06 0.00 0.00 34.95 32.01 2qij s ARG 133 CO 0.00 -0.54 1.14 -2.14 -2.50 0.00 0.00 175.30 171.26 2qij s PRO 134 N -0.40 2.05 0.00 5.12 0.02 -1.26 -4.89 135.00 135.65 2qij s PRO 134 Ca 0.62 1.46 0.00 0.00 0.02 0.00 0.00 61.00 63.10 2qij s PRO 134 Cb -0.45 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.22 2qij s PRO 134 CO 0.45 -1.84 0.98 -0.35 -0.33 0.00 0.00 177.00 175.92 2qij n PRO 135 N -3.23 0.00 -3.66 5.54 -0.04 -1.26 -4.58 135.00 127.77 2qij n PRO 135 Ca 0.11 0.95 -0.36 0.00 -0.04 0.00 0.00 63.50 64.16 2qij n PRO 135 Cb 0.52 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2qij n PRO 135 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2qij s ASN 136 N -2.93 6.60 0.79 3.54 0.01 -1.26 -5.09 114.94 116.60 2qij s ASN 136 Ca 0.00 0.71 -0.11 0.00 -0.71 0.00 0.00 52.86 52.75 2qij s ASN 136 Cb 0.00 -2.15 0.07 0.00 0.41 0.00 0.00 41.25 39.58 2qij s ASN 136 CO 0.00 0.27 1.09 0.00 -1.51 0.00 0.00 177.10 176.95 2qij s ALA 137 N -1.23 2.21 -0.28 0.60 0.00 -1.26 -4.99 121.76 116.81 2qij s ALA 137 Ca 0.26 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.84 2qij s ALA 137 Cb -0.14 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.83 2qij s ALA 137 CO 0.14 -1.74 1.28 -2.14 0.00 0.00 0.00 175.76 173.30 2qij s PRO 138 N -5.08 3.98 0.24 0.00 0.02 -1.26 -5.03 135.00 127.88 2qij s PRO 138 Ca 0.61 1.30 -0.12 0.00 0.02 0.00 0.00 61.00 62.81 2qij s PRO 138 Cb -0.15 -3.85 -0.08 0.00 0.02 0.00 0.00 34.50 30.44 2qij s PRO 138 CO 0.55 -1.04 0.61 0.96 -0.33 0.00 0.00 177.00 177.75 2qij s ILE 139 N 4.18 4.83 -0.17 2.83 -4.36 -1.26 -4.92 121.20 122.33 2qij s ILE 139 Ca 0.55 0.69 -0.27 0.00 -0.26 0.00 0.00 60.65 61.37 2qij s ILE 139 Cb -0.17 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 39.89 2qij s ILE 139 CO 0.21 -0.05 0.91 -0.22 0.24 0.00 0.00 174.94 176.03 2qij s LEU 140 N -2.71 4.17 0.36 0.37 2.96 -1.26 -5.04 118.68 117.54 2qij s LEU 140 Ca 0.48 1.27 0.05 0.00 -0.22 0.00 0.00 54.13 55.71 2qij s LEU 140 Cb -0.12 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.19 2qij s LEU 140 CO 0.20 -0.47 0.18 -0.55 -1.32 0.00 0.00 176.35 174.38 2qij s SER 141 N 1.17 2.18 0.26 3.68 0.15 -1.26 -5.08 113.70 114.81 2qij s SER 141 Ca 0.41 -1.67 0.19 0.00 0.70 0.00 0.00 55.95 55.58 2qij s SER 141 Cb -0.16 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 2qij s SER 141 CO 0.12 -0.96 1.27 0.71 1.20 0.00 0.00 173.24 175.58 2qij h THR 142 N 1.99 0.35 0.00 6.45 1.35 -1.95 -3.49 112.91 117.61 2qij h THR 142 Ca -0.32 -1.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 2qij h THR 142 Cb 1.26 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 2qij h THR 142 CO 0.50 0.20 0.00 0.00 -0.25 0.00 0.00 175.52 175.97